[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)OCC

InChI

InChI=1S/C22H23N3O5/c1-3-28-19-11-10-16(12-20(19)29-4-2)23-21(26)14-30-22(27)18-13-17(24-25-18)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,23,26)(H,24,25)